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89242-31-9 | 3-Isoquinolinecarboxamide, 1-(2-chlorophenyl)-N,N-diethyl-7-methyl-
CAS No: 89242-31-9 Catalog No: AG00889J MDL No:
Product Description
Catalog Number:
AG00889J
Chemical Name:
3-Isoquinolinecarboxamide, 1-(2-chlorophenyl)-N,N-diethyl-7-methyl-
CAS Number:
89242-31-9
Molecular Formula:
C21H21ClN2O
Molecular Weight:
352.8572
IUPAC Name:
1-(2-chlorophenyl)-N,N-diethyl-7-methylisoquinoline-3-carboxamide
InChI:
InChI=1S/C21H21ClN2O/c1-4-24(5-2)21(25)19-13-15-11-10-14(3)12-17(15)20(23-19)16-8-6-7-9-18(16)22/h6-13H,4-5H2,1-3H3
InChI Key:
XCSLCJCCJCTYFI-UHFFFAOYSA-N
SMILES:
CCN(C(=O)c1cc2ccc(cc2c(n1)c1ccccc1Cl)C)CC
Properties
Complexity:
453
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.134g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
352.862g/mol
Monoisotopic Mass:
352.134g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
33.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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